3H-pyrrol-3-amine

C4H6N2 — CID 55284676

IUPAC3H-pyrrol-3-amine
SMILESNC1C=CN=C1
InChIInChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-4H,5H2
InChIKeyOTQLDYFMEOSISX-UHFFFAOYSA-N
MW82.11 g/mol
LogP-0.09
Rot. Bonds

About 3H-pyrrol-3-amine

3H-pyrrol-3-amine (PubChem CID 55284676) has the molecular formula C4H6N2 and a molecular weight of 82.11 g/mol. Its IUPAC name is 3H-pyrrol-3-amine.

Molecular Properties

Compound Name3H-pyrrol-3-amine
PubChem CID55284676
Molecular FormulaC4H6N2
Molecular Weight82.11 g/mol
Exact Mass82.05
IUPAC Name3H-pyrrol-3-amine
SMILESNC1C=CN=C1
InChIInChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-4H,5H2
InChIKeyOTQLDYFMEOSISX-UHFFFAOYSA-N
XLogP-0.09
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.11
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3H-pyrrol-1-ium
CID 52940127
3,4-Dihydropyridin-4-amine
CID 53872884
3-(3-Aminoprop-1-enylimino)propan-1-amine
CID 54439572
2-methyl-3H-pyrrol-3-amine
CID 67580042
3,4-Dihydropyridine-3,4-diamine
CID 89933075
N-(3H-pyrrol-3-yl)methanimine
CID 123397348
1-(Ethylideneamino)pent-1-en-3-amine
CID 123675713
3h-Pyrrol-4-amine
CID 125295946
(7Z)-3,6-dihydroazocin-3-amine
CID 132021308
3,4-Dihydropyridin-3-amine
CID 141536129
(Z)-4-(propylideneamino)but-3-en-1-amine
CID 143064351
ethane;(Z)-4-(propylideneamino)but-3-en-2-amine
CID 144235053

Frequently Asked Questions

What is the IUPAC name of 3H-pyrrol-3-amine?
The IUPAC name of 3H-pyrrol-3-amine (CID 55284676) is 3H-pyrrol-3-amine.
What is the SMILES notation for 3H-pyrrol-3-amine?
The canonical SMILES for 3H-pyrrol-3-amine is NC1C=CN=C1.
What is the InChIKey of 3H-pyrrol-3-amine?
The InChIKey is OTQLDYFMEOSISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-4H,5H2.
What are the key properties of 3H-pyrrol-3-amine?
3H-pyrrol-3-amine has a molecular weight of 82.11 g/mol, XLogP of -0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-pyrrol-3-amine is sourced from PubChem (CID 55284676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).